ChemSpider 2D Image | 4-{4-[4-(4-Methoxyphenyl)(~2~H_8_)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | C19H13D8N5O2

4-{4-[4-(4-Methoxyphenyl)(2H8)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC19H13D8N5O2
  • Average mass359.452 Da
  • Monoisotopic mass359.219727 Da
  • ChemSpider ID82954346

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl-2,2,3,3,5,5,6,6-d8]phenyl]- [ACD/Index Name]
4-{4-[4-(4-Methoxyphenyl)(2H8)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
4-{4-[4-(4-Methoxyphenyl)(2H8)-1-piperazinyl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
4-{4-[4-(4-Méthoxyphényl)(2H8)-1-pipérazinyl]phényl}-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.84
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.66
ACD/KOC (pH 7.4): 143.36
Polar Surface Area: 60 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 53.6±7.0 dyne/cm
Molar Volume: 269.0±7.0 cm3

Click to predict properties on the Chemicalize site


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